4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid

C11H20N2O4 — CID 66254737

IUPAC4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)CNC)C1COCC1C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-4-13(10(14)5-12-2)9-7-17-6-8(9)11(15)16/h8-9,12H,3-7H2,1-2H3,(H,15,16)
InChIKeyDXDHKEGQROLZLX-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.46
Rot. Bonds6

About 4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid

4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid (PubChem CID 66254737) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid
PubChem CID66254737
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)CNC)C1COCC1C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-4-13(10(14)5-12-2)9-7-17-6-8(9)11(15)16/h8-9,12H,3-7H2,1-2H3,(H,15,16)
InChIKeyDXDHKEGQROLZLX-UHFFFAOYSA-N
XLogP-0.46
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[propyl(3,3,3-trifluoropropanoyl)amino]oxolane-3-carboxylic acid
CID 66252612
4-[4-aminobutanoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254547
4-[(2-cyclobutylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 103162016
4-[(2-propan-2-ylsulfanylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 66253390
4-[(3-methoxy-3-methylbutanoyl)-propylamino]oxolane-3-carboxylic acid
CID 103018900
4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid
CID 82985265
4-[(2-acetamidoacetyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245449
4-[(2-piperazin-1-ylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 66257035
4-[[(2R)-2-aminobutanoyl]-propylamino]oxolane-3-carboxylic acid
CID 66254352
4-[[2-ethoxyethyl(methyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid
CID 81037296
4-[cyclohexylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254172

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid (CID 66254737) is 4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid is CCCN(C(=O)CNC)C1COCC1C(=O)O.
What is the InChIKey of 4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid?
The InChIKey is DXDHKEGQROLZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-4-13(10(14)5-12-2)9-7-17-6-8(9)11(15)16/h8-9,12H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid?
4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of -0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66254737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).